#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc s PRO 2 N 0.00 2.81 0.61 1.61 0.04 -1.26 -4.97 135.00 133.84 1xsc s PRO 2 Ca 0.00 -0.32 -0.19 0.00 0.04 0.00 0.00 61.00 60.53 1xsc s PRO 2 Cb 0.00 -4.97 -0.03 0.00 0.04 0.00 0.00 34.50 29.54 1xsc s PRO 2 CO 0.00 -2.98 1.29 -0.51 0.04 0.00 0.00 177.00 174.84 1xsc s LEU 3 N 8.66 3.67 0.00 -3.56 2.01 -1.26 -4.95 118.68 123.26 1xsc s LEU 3 Ca 0.63 2.60 0.00 0.00 0.01 0.00 0.00 54.13 57.37 1xsc s LEU 3 Cb -0.06 -4.52 0.00 0.00 0.01 0.00 0.00 46.19 41.61 1xsc s LEU 3 CO 0.01 -1.79 0.00 0.61 1.01 0.00 0.00 176.35 176.19 1xsc n GLY 4 N 0.77 0.49 3.57 -3.19 0.00 -1.26 -5.04 105.19 100.54 1xsc n GLY 4 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1xsc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsc s SER 5 N -0.27 6.54 -0.17 1.61 1.04 -1.26 -5.02 113.70 116.16 1xsc s SER 5 Ca 0.00 0.23 -0.22 0.00 0.48 0.00 0.00 55.95 56.44 1xsc s SER 5 Cb 0.00 -2.44 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 1xsc s SER 5 CO 0.00 -0.93 0.69 -0.32 0.98 0.00 0.00 173.24 173.66 1xsc s MET 6 N 3.52 4.26 0.24 4.02 1.75 -1.26 -4.90 119.30 126.93 1xsc s MET 6 Ca 0.35 0.75 0.00 0.00 -1.25 0.00 0.00 55.69 55.55 1xsc s MET 6 Cb -0.11 -3.56 0.00 0.00 2.84 0.00 0.00 34.83 34.00 1xsc s MET 6 CO 0.23 -0.22 0.00 0.00 -0.65 0.00 0.00 175.02 174.38 1xsc n ALA 7 N 4.92 -1.72 -2.71 4.11 0.00 -1.26 -4.92 120.51 118.92 1xsc n ALA 7 Ca 0.00 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 1xsc n ALA 7 Cb 0.50 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 19.18 1xsc n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsc s LEU 8 N -5.89 3.62 -0.15 0.00 1.02 0.26 -4.97 118.68 112.57 1xsc s LEU 8 Ca 0.00 0.15 -0.23 0.00 0.02 0.00 0.00 54.13 54.06 1xsc s LEU 8 Cb 0.00 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.35 1xsc s LEU 8 CO 0.00 0.36 0.74 -0.60 0.02 0.00 0.00 176.35 176.87 1xsc s ARG 9 N -0.79 4.31 0.20 1.70 3.52 -1.26 0.10 118.95 126.72 1xsc s ARG 9 Ca 0.12 0.86 0.01 0.00 -0.13 0.00 0.00 55.73 56.59 1xsc s ARG 9 Cb -0.12 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 1xsc s ARG 9 CO 0.02 -0.19 0.06 0.00 -0.81 0.00 0.00 175.30 174.38 1xsc s ALA 10 N 1.70 1.38 -0.26 6.12 0.00 0.27 -1.90 121.76 129.07 1xsc s ALA 10 Ca 0.35 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 1xsc s ALA 10 Cb -0.17 0.86 0.10 0.00 0.00 0.00 0.00 23.12 23.91 1xsc s ALA 10 CO 0.13 -0.42 0.60 0.00 0.00 0.00 0.00 175.76 176.07 1xsc s GLY 12 N 2.34 2.40 -0.17 0.00 0.00 0.34 -0.16 107.32 112.07 1xsc s GLY 12 Ca -0.07 -2.19 0.00 0.00 0.00 0.00 0.00 44.72 42.46 1xsc s GLY 12 CO -0.18 -2.00 -0.12 -2.27 0.00 0.00 0.00 173.10 168.54 1xsc s LEU 13 N -3.81 1.91 -0.91 0.66 0.20 -0.99 -3.30 118.68 112.44 1xsc s LEU 13 Ca 0.38 -0.65 -0.21 0.00 0.69 0.00 0.00 54.13 54.34 1xsc s LEU 13 Cb 0.06 -1.19 0.09 0.00 -0.43 0.00 0.00 46.19 44.73 1xsc s LEU 13 CO 0.20 -0.10 1.21 -0.63 -0.29 0.00 0.00 176.35 176.75 1xsc s ILE 14 N 1.46 4.37 0.31 6.68 1.01 0.14 -4.19 121.20 130.98 1xsc s ILE 14 Ca 0.02 -1.05 -0.22 0.00 0.00 0.00 0.00 60.65 59.40 1xsc s ILE 14 Cb -0.14 -4.86 -0.09 0.00 0.01 0.00 0.00 42.46 37.38 1xsc s ILE 14 CO -0.10 -1.65 0.85 -0.63 0.00 0.00 0.00 174.94 173.42 1xsc s ILE 15 N 3.73 4.41 -0.16 2.92 1.01 -1.26 -0.48 121.20 131.38 1xsc s ILE 15 Ca 0.35 1.50 -0.07 0.00 0.00 0.00 0.00 60.65 62.43 1xsc s ILE 15 Cb -0.05 -3.85 0.07 0.00 0.01 0.00 0.00 42.46 38.64 1xsc s ILE 15 CO -0.06 0.05 0.36 0.72 0.00 0.00 0.00 174.94 176.01 1xsc s PHE 16 N -1.73 -0.58 -0.38 3.97 -0.12 0.75 -1.24 117.98 118.66 1xsc s PHE 16 Ca 0.50 1.22 -0.22 0.00 -0.05 0.00 0.00 56.93 58.38 1xsc s PHE 16 Cb -0.15 0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.43 1xsc s PHE 16 CO 0.20 -0.37 0.73 0.50 -0.05 0.00 0.00 175.22 176.24 1xsc s ARG 17 N 1.93 3.65 -0.30 1.99 3.00 -1.06 -3.70 118.95 124.45 1xsc s ARG 17 Ca -0.05 0.13 -0.21 0.00 -1.00 0.00 0.00 55.73 54.60 1xsc s ARG 17 Cb -0.10 -3.84 -0.01 0.00 0.00 0.00 0.00 34.95 31.00 1xsc s ARG 17 CO -0.11 -0.87 0.66 0.50 0.00 0.00 0.00 175.30 175.48 1xsc s ARG 18 N 3.01 3.93 0.73 5.12 3.52 -1.26 -2.63 118.95 131.36 1xsc s ARG 18 Ca 0.29 0.38 -0.11 0.00 -0.13 0.00 0.00 55.73 56.15 1xsc s ARG 18 Cb -0.13 -3.72 0.03 0.00 -1.56 0.00 0.00 34.95 29.56 1xsc s ARG 18 CO 0.17 -0.58 1.07 0.00 -0.81 0.00 0.00 175.30 175.16 1xsc n LEU 20 N -3.27 0.00 -4.67 0.00 7.94 -1.26 -4.85 117.00 110.89 1xsc n LEU 20 Ca 0.08 0.36 -0.25 0.00 -1.11 0.00 0.00 56.01 55.08 1xsc n LEU 20 Cb 0.53 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.41 1xsc n LEU 20 CO 0.55 0.00 -0.32 0.27 -1.11 0.00 0.00 177.39 176.78 1xsc s ILE 21 N -0.71 3.73 0.77 1.96 -5.25 -1.26 -5.12 121.20 115.32 1xsc s ILE 21 Ca 0.00 -1.52 -0.12 0.00 -0.99 0.00 0.00 60.65 58.02 1xsc s ILE 21 Cb 0.00 -2.91 0.06 0.00 2.95 0.00 0.00 42.46 42.56 1xsc s ILE 21 CO 0.00 -0.18 1.14 -2.84 -1.79 0.00 0.00 174.94 171.26 1xsc s PRO 22 N -3.16 2.05 0.00 0.37 0.02 -1.26 -5.03 135.00 127.99 1xsc s PRO 22 Ca 0.29 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1xsc s PRO 22 Cb -0.09 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1xsc s PRO 22 CO 0.19 -1.84 0.00 1.63 -0.33 0.00 0.00 177.00 176.65 1xsc n LYS 23 N -3.26 0.00 -0.34 5.54 4.76 -1.26 -4.77 118.16 118.83 1xsc n LYS 23 Ca 0.11 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.62 1xsc n LYS 23 Cb 0.52 -0.06 0.23 0.00 -1.84 0.00 0.00 35.03 33.88 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xsc n VAL 24 N -1.53 0.96 -1.21 -0.18 0.31 -1.26 -4.89 118.33 110.52 1xsc n VAL 24 Ca 0.00 -0.73 -0.07 0.00 -0.01 0.00 0.00 64.34 63.53 1xsc n VAL 24 Cb 0.00 0.16 -0.03 0.00 -0.91 0.00 0.00 33.84 33.05 1xsc n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsc n ASP 25 N 0.81 -4.98 0.00 4.52 -0.08 -1.26 -4.83 116.55 110.72 1xsc n ASP 25 Ca 0.17 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1xsc n ASP 25 Cb 0.53 -3.13 0.00 0.00 2.34 0.00 0.00 41.12 40.86 1xsc n ASP 25 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1xsc n ASN 26 N -0.57 0.00 -4.63 1.67 2.85 -1.26 -5.08 115.26 108.23 1xsc n ASN 26 Ca -0.07 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.15 1xsc n ASN 26 Cb 0.42 -0.10 0.11 0.00 1.24 0.00 0.00 39.78 41.45 1xsc n ASN 26 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1xsc s ASN 27 N -2.18 4.25 0.00 1.20 -0.87 -1.26 -4.96 114.94 111.11 1xsc s ASN 27 Ca 0.00 -0.09 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 1xsc s ASN 27 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 41.25 40.92 1xsc s ASN 27 CO 0.00 -1.94 0.00 0.00 -2.57 0.00 0.00 177.10 172.59 1xsc n ALA 28 N -2.99 0.00 -2.76 0.60 0.00 -1.26 -4.45 120.51 109.65 1xsc n ALA 28 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1xsc n ALA 28 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 1xsc n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xsc s ILE 29 N 0.00 4.49 0.43 0.00 1.01 -1.26 -3.02 121.20 122.85 1xsc s ILE 29 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1xsc s ILE 29 Cb 0.00 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 1xsc s ILE 29 CO 0.00 0.22 0.03 -1.61 0.00 0.00 0.00 174.94 173.58 1xsc s GLU 30 N -2.09 1.99 -0.02 2.79 2.02 -1.08 -4.41 118.70 117.91 1xsc s GLU 30 Ca 0.26 -2.19 0.00 0.00 0.02 0.00 0.00 54.97 53.06 1xsc s GLU 30 Cb -0.12 -1.37 0.02 0.00 0.10 0.00 0.00 34.13 32.76 1xsc s GLU 30 CO 0.18 -0.23 -0.00 -0.06 0.02 0.00 0.00 175.26 175.17 1xsc s PHE 31 N -2.91 0.20 0.11 1.61 0.08 0.42 -2.55 117.98 114.93 1xsc s PHE 31 Ca 0.24 0.02 -0.30 0.00 0.12 0.00 0.00 56.93 57.00 1xsc s PHE 31 Cb 0.06 -0.26 -0.06 0.00 -0.57 0.00 0.00 43.02 42.19 1xsc s PHE 31 CO 0.12 -0.07 1.08 -1.17 -0.10 0.00 0.00 175.22 175.07 1xsc s LEU 32 N 0.64 4.44 0.02 -0.37 2.96 -0.37 -2.30 118.68 123.72 1xsc s LEU 32 Ca -0.06 1.94 0.03 0.00 -0.22 0.00 0.00 54.13 55.83 1xsc s LEU 32 Cb -0.09 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1xsc s LEU 32 CO -0.01 -0.26 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.90 1xsc s LEU 33 N 0.28 2.13 -0.19 -0.68 1.43 0.74 -4.42 118.68 117.97 1xsc s LEU 33 Ca 0.52 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1xsc s LEU 33 Cb -0.27 -0.42 0.03 0.00 0.03 0.00 0.00 46.19 45.56 1xsc s LEU 33 CO 0.31 0.00 -0.13 -0.76 0.23 0.00 0.00 176.35 176.00 1xsc s LEU 34 N -0.87 2.21 0.11 1.79 1.43 -0.28 0.02 118.68 123.09 1xsc s LEU 34 Ca -0.01 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.00 1xsc s LEU 34 Cb -0.06 -1.30 -0.06 0.00 0.03 0.00 0.00 46.19 44.80 1xsc s LEU 34 CO 0.00 -0.10 1.16 -1.58 0.23 0.00 0.00 176.35 176.07 1xsc s GLN 35 N 1.37 4.49 0.66 1.70 0.74 0.12 -1.80 119.66 126.94 1xsc s GLN 35 Ca 0.01 1.76 -0.17 0.00 0.05 0.00 0.00 55.36 57.00 1xsc s GLN 35 Cb -0.15 -3.32 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 1xsc s GLN 35 CO -0.09 -0.13 1.04 0.00 -0.55 0.00 0.00 175.29 175.55 1xsc n ALA 36 N 3.28 0.24 1.84 1.58 0.00 -0.08 -2.88 120.51 124.49 1xsc n ALA 36 Ca 0.06 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1xsc n ALA 36 Cb 0.46 -2.16 0.72 0.00 0.00 0.00 0.00 19.45 18.48 1xsc n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsc n SER 37 N -1.37 0.43 -2.32 0.00 3.41 -1.16 -4.50 113.62 108.11 1xsc n SER 37 Ca 0.14 -1.26 -0.01 0.00 -0.26 0.00 0.00 58.87 57.49 1xsc n SER 37 Cb 0.48 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1xsc n SER 37 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xsc n ASP 38 N -0.61 -0.85 0.00 4.04 8.00 -1.26 -4.95 116.55 120.92 1xsc n ASP 38 Ca 0.20 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1xsc n ASP 38 Cb 0.17 1.36 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xsc n GLY 39 N -0.42 1.13 0.16 0.44 0.00 -1.26 -2.77 105.19 102.46 1xsc n GLY 39 Ca -0.00 -0.56 0.15 0.00 0.00 0.00 0.00 46.02 45.61 1xsc n GLY 39 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xsc n ILE 40 N 0.00 0.00 -2.96 -0.61 3.06 -1.26 -4.90 119.36 112.69 1xsc n ILE 40 Ca 0.00 -0.08 -0.22 0.00 -2.50 0.00 0.00 62.75 59.94 1xsc n ILE 40 Cb 0.00 -0.12 0.03 0.00 0.54 0.00 0.00 39.64 40.09 1xsc n ILE 40 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1xsc n HIS 41 N -0.68 -1.88 -1.15 9.51 8.25 -1.12 -4.95 115.22 123.20 1xsc n HIS 41 Ca 0.20 0.48 -0.32 0.00 -0.26 0.00 0.00 57.72 57.81 1xsc n HIS 41 Cb 0.23 -4.47 0.11 0.00 1.12 0.00 0.00 29.99 26.98 1xsc n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsc s HIS 42 N -3.17 2.15 -0.21 4.41 -3.43 -1.26 -4.33 115.29 109.43 1xsc s HIS 42 Ca 0.28 1.65 -0.05 0.00 -0.80 0.00 0.00 55.06 56.13 1xsc s HIS 42 Cb -0.12 -3.24 -0.02 0.00 -1.43 0.00 0.00 32.58 27.76 1xsc s HIS 42 CO 0.34 -2.29 0.01 -1.58 -2.00 0.00 0.00 174.74 169.22 1xsc s TRP 43 N -2.58 3.04 0.01 0.38 0.52 -1.25 -0.90 118.94 118.15 1xsc s TRP 43 Ca 0.66 -0.50 -0.11 0.00 0.02 0.00 0.00 56.10 56.18 1xsc s TRP 43 Cb -0.22 -2.12 0.01 0.00 -1.15 0.00 0.00 33.47 29.99 1xsc s TRP 43 CO 0.53 -0.30 0.22 0.95 0.02 0.00 0.00 176.95 178.37 1xsc s THR 44 N 1.19 0.08 1.03 2.01 -4.23 -0.74 -4.16 115.64 110.81 1xsc s THR 44 Ca 0.03 -0.66 -0.12 0.00 -1.18 0.00 0.00 61.69 59.76 1xsc s THR 44 Cb -0.14 -0.63 0.21 0.00 1.34 0.00 0.00 72.50 73.28 1xsc s THR 44 CO 0.02 -0.36 1.07 -2.16 -0.54 0.00 0.00 174.62 172.65 1xsc s PRO 45 N -1.68 0.16 -0.51 3.99 0.04 -1.26 -1.12 135.00 134.61 1xsc s PRO 45 Ca -0.12 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 61.37 1xsc s PRO 45 Cb -0.05 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 32.73 1xsc s PRO 45 CO 0.01 -2.96 2.40 -2.14 0.04 0.00 0.00 177.00 174.35 1xsc s PRO 46 N -4.79 2.07 -0.08 0.56 0.02 -1.26 -4.75 135.00 126.76 1xsc s PRO 46 Ca 0.66 1.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.01 1xsc s PRO 46 Cb -0.21 -4.59 -0.03 0.00 0.02 0.00 0.00 34.50 29.69 1xsc s PRO 46 CO 0.60 -3.34 0.00 -1.59 -0.33 0.00 0.00 177.00 172.34 1xsc s LYS 47 N 8.29 2.98 0.45 5.54 -2.85 -1.26 -2.35 119.74 130.55 1xsc s LYS 47 Ca 0.97 -0.41 0.03 0.00 -1.00 0.00 0.00 55.97 55.56 1xsc s LYS 47 Cb -0.17 -2.80 -0.02 0.00 -2.06 0.00 0.00 37.83 32.79 1xsc s LYS 47 CO 0.25 0.70 0.09 0.20 0.10 0.00 0.00 175.35 176.69 1xsc s GLY 48 N -0.90 2.79 -0.66 0.59 0.00 0.77 -4.92 107.32 104.99 1xsc s GLY 48 Ca 0.13 -0.90 -0.11 0.00 0.00 0.00 0.00 44.72 43.84 1xsc s GLY 48 CO 0.02 -1.97 0.57 -1.58 0.00 0.00 0.00 173.10 170.14 1xsc s HIS 49 N -3.08 3.53 0.15 1.90 2.46 -1.26 -1.07 115.29 117.92 1xsc s HIS 49 Ca 0.17 -1.96 -0.31 0.00 0.47 0.00 0.00 55.06 53.43 1xsc s HIS 49 Cb 0.02 -3.64 -0.08 0.00 -0.13 0.00 0.00 32.58 28.75 1xsc s HIS 49 CO 0.10 -0.97 1.34 0.54 -2.47 0.00 0.00 174.74 173.28 1xsc s VAL 50 N 0.66 3.29 0.18 0.89 0.11 -0.80 -4.94 120.40 119.79 1xsc s VAL 50 Ca 0.12 0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 60.12 1xsc s VAL 50 Cb -0.19 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 1xsc s VAL 50 CO -0.04 0.11 0.41 -0.70 -3.33 0.00 0.00 175.10 171.55 1xsc s GLU 51 N 0.51 3.60 0.47 1.54 2.12 -1.26 -4.48 118.70 121.20 1xsc s GLU 51 Ca 0.60 -0.14 0.27 0.00 0.36 0.00 0.00 54.97 56.06 1xsc s GLU 51 Cb -0.36 -2.81 1.31 0.00 0.26 0.00 0.00 34.13 32.53 1xsc s GLU 51 CO 0.34 0.41 1.81 -1.00 -0.54 0.00 0.00 175.26 176.28 1xsc h PRO 52 N 2.43 0.19 0.00 4.30 0.13 -1.97 0.53 132.00 137.62 1xsc h PRO 52 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xsc h PRO 52 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xsc h PRO 52 CO 0.70 0.13 -0.70 0.41 -0.23 0.00 0.00 178.00 178.32 1xsc n GLY 53 N -1.61 -1.31 3.93 1.56 0.00 -1.26 -4.91 105.19 101.58 1xsc n GLY 53 Ca 0.24 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1xsc n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsc s GLU 54 N -3.13 2.90 0.59 1.61 2.12 0.19 -5.08 118.70 117.90 1xsc s GLU 54 Ca 0.07 -0.13 -0.09 0.00 0.36 0.00 0.00 54.97 55.19 1xsc s GLU 54 Cb 0.15 -2.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.19 1xsc s GLU 54 CO 0.74 -0.65 0.96 0.34 -0.54 0.00 0.00 175.26 176.10 1xsc s ASP 55 N -4.30 6.03 -0.03 -1.70 2.15 -1.26 -4.65 116.67 112.91 1xsc s ASP 55 Ca 0.53 1.15 -0.09 0.00 0.43 0.00 0.00 52.55 54.57 1xsc s ASP 55 Cb -0.10 -2.22 -0.05 0.00 -0.30 0.00 0.00 42.92 40.24 1xsc s ASP 55 CO 0.44 -0.89 0.51 -0.78 -0.17 0.00 0.00 175.17 174.28 1xsc h ASP 56 N -0.21 -0.28 -0.88 -0.34 -0.00 -1.98 -3.09 116.42 109.65 1xsc h ASP 56 Ca -0.45 0.01 -0.02 0.00 -0.00 0.00 0.00 57.03 56.57 1xsc h ASP 56 Cb 1.21 0.07 -0.04 0.00 -0.00 0.00 0.00 39.33 40.57 1xsc h ASP 56 CO 0.62 0.00 0.46 0.25 -0.00 0.00 0.00 179.24 180.57 1xsc h LEU 57 N -0.73 1.12 -0.46 2.28 5.85 -1.97 -2.86 115.31 118.54 1xsc h LEU 57 Ca -0.03 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1xsc h LEU 57 Cb 0.25 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 1xsc h LEU 57 CO 0.06 0.91 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.62 1xsc h GLU 58 N 1.24 -0.00 -0.85 1.25 5.08 -1.98 1.12 114.58 120.43 1xsc h GLU 58 Ca 0.31 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.79 1xsc h GLU 58 Cb 0.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 1xsc h GLU 58 CO -0.05 -0.00 0.55 1.15 -1.00 0.00 0.00 179.01 179.66 1xsc h THR 59 N -0.00 0.88 -0.01 1.13 2.02 -1.41 1.03 112.91 116.54 1xsc h THR 59 Ca 0.22 -0.24 -0.18 0.00 0.77 0.00 0.00 66.41 66.98 1xsc h THR 59 Cb 0.34 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1xsc h THR 59 CO -0.47 0.13 -0.81 0.00 0.37 0.00 0.00 175.52 174.74 1xsc h ALA 60 N 1.60 0.63 0.12 6.16 0.00 -0.24 -1.96 119.26 125.56 1xsc h ALA 60 Ca 0.41 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1xsc h ALA 60 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xsc h ALA 60 CO -0.18 0.90 -0.06 -0.07 0.00 0.00 0.00 179.25 179.84 1xsc h LEU 61 N 0.09 -0.14 -0.66 0.00 3.38 0.47 -2.56 115.31 115.89 1xsc h LEU 61 Ca -0.03 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.55 1xsc h LEU 61 Cb 1.40 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 1xsc h LEU 61 CO 0.12 0.41 0.42 -0.09 0.09 0.00 0.00 178.44 179.39 1xsc h ARG 62 N -0.77 0.81 -0.45 1.13 2.43 0.82 -1.01 114.38 117.34 1xsc h ARG 62 Ca -0.02 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1xsc h ARG 62 Cb 0.55 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1xsc h ARG 62 CO 0.03 0.53 0.30 0.00 -1.51 0.00 0.00 179.97 179.32 1xsc h ALA 63 N 1.27 1.85 0.33 2.80 0.00 -1.41 0.93 119.26 125.03 1xsc h ALA 63 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1xsc h ALA 63 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xsc h ALA 63 CO -0.09 0.09 -0.16 1.15 0.00 0.00 0.00 179.25 180.24 1xsc h THR 64 N 0.46 0.70 0.00 0.00 2.02 -0.75 0.83 112.91 116.16 1xsc h THR 64 Ca 0.19 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1xsc h THR 64 Cb 0.17 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1xsc h THR 64 CO -0.05 0.06 -0.22 0.06 0.37 0.00 0.00 175.52 175.74 1xsc h GLN 65 N -0.59 0.00 0.17 6.66 3.07 0.54 0.91 115.11 125.87 1xsc h GLN 65 Ca -0.05 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.40 1xsc h GLN 65 Cb 0.43 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.01 1xsc h GLN 65 CO 0.07 0.22 -1.32 0.93 0.09 0.00 0.00 178.83 178.82 1xsc h GLU 66 N 0.00 0.43 -0.37 0.06 4.39 0.11 0.16 114.58 119.36 1xsc h GLU 66 Ca -0.00 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1xsc h GLU 66 Cb 0.87 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1xsc h GLU 66 CO 0.03 1.32 0.00 0.39 -1.16 0.00 0.00 179.01 179.59 1xsc n GLU 67 N -3.65 2.83 0.00 2.33 4.71 0.29 -3.66 120.64 123.49 1xsc n GLU 67 Ca -0.12 -2.08 0.00 0.00 -0.01 0.00 0.00 57.16 54.95 1xsc n GLU 67 Cb 1.04 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 30.18 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xsc n ALA 68 N 0.59 0.00 -0.36 0.62 0.00 0.31 -4.06 120.51 117.61 1xsc n ALA 68 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xsc n ALA 68 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1xsc n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsc n GLY 69 N 0.00 2.26 3.69 0.00 0.00 0.56 0.14 105.19 111.84 1xsc n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xsc n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsc s ILE 70 N -3.35 5.33 0.42 -0.61 1.01 -1.21 -4.70 121.20 118.09 1xsc s ILE 70 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 60.65 61.09 1xsc s ILE 70 Cb 0.00 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 1xsc s ILE 70 CO 0.00 0.36 0.36 -1.83 0.00 0.00 0.00 174.94 173.83 1xsc s GLU 71 N 0.81 2.50 0.51 2.79 -1.05 -1.26 0.44 118.70 123.43 1xsc s GLU 71 Ca 0.12 -1.58 0.31 0.00 -0.15 0.00 0.00 54.97 53.67 1xsc s GLU 71 Cb -0.13 -2.34 1.43 0.00 -0.44 0.00 0.00 34.13 32.65 1xsc s GLU 71 CO 0.03 -0.20 1.84 0.00 0.95 0.00 0.00 175.26 177.87 1xsc h ALA 72 N 1.05 2.82 0.00 -0.84 0.00 -1.89 1.08 119.26 121.47 1xsc h ALA 72 Ca -0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1xsc h ALA 72 Cb 1.27 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xsc h ALA 72 CO 0.58 -1.13 -0.06 0.78 0.00 0.00 0.00 179.25 179.41 1xsc h GLY 73 N 0.09 0.00 -0.53 0.00 0.00 -1.99 -2.76 103.07 97.87 1xsc h GLY 73 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1xsc h GLY 73 CO -0.06 0.00 -0.49 -1.06 0.00 0.00 0.00 176.54 174.93 1xsc n GLN 74 N -3.17 0.95 -1.56 4.80 1.13 0.36 -4.94 117.38 114.95 1xsc n GLN 74 Ca 0.01 -0.74 0.00 0.00 -1.94 0.00 0.00 57.00 54.33 1xsc n GLN 74 Cb 0.38 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1xsc n LEU 75 N -0.38 0.00 -3.52 1.08 -0.00 -0.69 -0.38 117.00 113.10 1xsc n LEU 75 Ca 0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.81 1xsc n LEU 75 Cb 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.70 1xsc n LEU 75 CO 0.30 0.00 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.47 1xsc s THR 76 N -1.24 -0.02 -0.29 1.47 2.01 0.65 -4.76 115.64 113.46 1xsc s THR 76 Ca 0.00 -1.00 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 1xsc s THR 76 Cb 0.00 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1xsc s THR 76 CO 0.00 -0.79 1.60 -0.63 -0.69 0.00 0.00 174.62 174.10 1xsc s ILE 77 N 1.84 3.72 0.16 1.82 -1.09 -1.25 -1.96 121.20 124.44 1xsc s ILE 77 Ca 0.11 0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 59.01 1xsc s ILE 77 Cb -0.18 -3.82 -0.07 0.00 -1.58 0.00 0.00 42.46 36.81 1xsc s ILE 77 CO -0.27 -0.42 1.13 -0.63 -1.23 0.00 0.00 174.94 173.51 1xsc s ILE 78 N 5.57 3.87 0.19 2.92 1.09 0.34 -4.97 121.20 130.21 1xsc s ILE 78 Ca 0.70 1.55 -0.05 0.00 -1.10 0.00 0.00 60.65 61.75 1xsc s ILE 78 Cb -0.22 -3.99 -0.06 0.00 -1.06 0.00 0.00 42.46 37.14 1xsc s ILE 78 CO 0.30 0.24 0.44 -1.61 -0.10 0.00 0.00 174.94 174.21 1xsc s GLU 79 N -0.08 3.64 0.00 2.79 2.02 -1.26 -4.29 118.70 121.52 1xsc s GLU 79 Ca 0.51 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.47 1xsc s GLU 79 Cb -0.30 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1xsc s GLU 79 CO 0.34 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.42 1xsc n GLY 80 N -0.21 3.26 3.53 -1.39 0.00 -1.26 -5.04 105.19 104.07 1xsc n GLY 80 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1xsc n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsc s PHE 81 N -2.89 3.12 -0.26 1.61 2.19 -1.26 -5.08 117.98 115.41 1xsc s PHE 81 Ca 0.00 -0.22 -0.12 0.00 0.33 0.00 0.00 56.93 56.92 1xsc s PHE 81 Cb 0.00 -2.09 0.09 0.00 -1.31 0.00 0.00 43.02 39.71 1xsc s PHE 81 CO 0.00 -0.08 0.60 0.21 1.83 0.00 0.00 175.22 177.78 1xsc s LYS 82 N 0.79 0.58 -0.17 10.12 2.20 -1.26 -4.68 119.74 127.32 1xsc s LYS 82 Ca 0.02 1.20 -0.14 0.00 -0.36 0.00 0.00 55.97 56.70 1xsc s LYS 82 Cb -0.14 0.35 0.05 0.00 -1.51 0.00 0.00 37.83 36.58 1xsc s LYS 82 CO 0.02 -0.18 0.45 0.50 -0.36 0.00 0.00 175.35 175.78 1xsc s ARG 83 N 2.08 0.49 0.03 4.03 6.06 -1.23 -5.00 118.95 125.42 1xsc s ARG 83 Ca -0.08 0.70 0.08 0.00 -2.50 0.00 0.00 55.73 53.93 1xsc s ARG 83 Cb -0.08 0.16 -0.03 0.00 0.06 0.00 0.00 34.95 35.06 1xsc s ARG 83 CO -0.18 -0.10 -0.24 -1.83 -2.50 0.00 0.00 175.30 170.46 1xsc s GLU 84 N 0.66 1.93 -0.24 5.12 1.03 -1.25 0.18 118.70 126.13 1xsc s GLU 84 Ca -0.03 -1.04 -0.10 0.00 0.03 0.00 0.00 54.97 53.82 1xsc s GLU 84 Cb -0.05 -2.06 -0.05 0.00 -0.80 0.00 0.00 34.13 31.18 1xsc s GLU 84 CO -0.04 0.53 0.15 -0.51 -1.33 0.00 0.00 175.26 174.06 1xsc s LEU 85 N -1.20 4.06 -0.20 1.83 1.43 0.38 -4.79 118.68 120.19 1xsc s LEU 85 Ca 0.12 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1xsc s LEU 85 Cb -0.10 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1xsc s LEU 85 CO 0.02 0.06 -0.10 0.20 0.23 0.00 0.00 176.35 176.76 1xsc s ASN 86 N 1.09 3.86 -0.21 2.29 0.01 -1.26 0.17 114.94 120.90 1xsc s ASN 86 Ca 0.07 -0.49 -0.28 0.00 -0.71 0.00 0.00 52.86 51.46 1xsc s ASN 86 Cb -0.14 -1.64 0.12 0.00 0.41 0.00 0.00 41.25 40.00 1xsc s ASN 86 CO 0.05 -0.01 0.97 -0.72 -1.51 0.00 0.00 177.10 175.87 1xsc s TYR 87 N 1.39 -0.47 -0.49 2.20 -0.85 -1.19 -4.95 117.35 112.99 1xsc s TYR 87 Ca 0.05 1.00 -0.26 0.00 -0.52 0.00 0.00 57.07 57.34 1xsc s TYR 87 Cb -0.14 0.40 0.03 0.00 0.38 0.00 0.00 41.96 42.63 1xsc s TYR 87 CO -0.07 -0.32 0.99 0.54 -1.52 0.00 0.00 175.55 175.17 1xsc s VAL 88 N -0.42 4.37 0.00 -3.49 0.11 -1.26 -0.49 120.40 119.22 1xsc s VAL 88 Ca -0.00 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 1xsc s VAL 88 Cb -0.03 -4.51 0.00 0.00 -1.53 0.00 0.00 36.38 30.32 1xsc s VAL 88 CO -0.01 -0.96 0.00 0.00 -3.33 0.00 0.00 175.10 170.80 1xsc n ALA 89 N 7.44 0.00 -0.03 1.54 0.00 -1.06 -4.70 120.51 123.70 1xsc n ALA 89 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 1xsc n ALA 89 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 1xsc n ALA 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xsc h ARG 90 N 0.00 0.14 0.00 0.00 0.11 -2.03 -3.44 114.38 109.16 1xsc h ARG 90 Ca 0.00 -0.13 -0.06 0.00 0.10 0.00 0.00 59.98 59.89 1xsc h ARG 90 Cb 0.00 0.03 -0.06 0.00 1.11 0.00 0.00 29.97 31.06 1xsc h ARG 90 CO 0.00 0.84 -0.12 0.27 0.10 0.00 0.00 179.97 181.06 1xsc n ASN 91 N -4.58 -0.43 -3.65 0.08 6.94 -1.26 -5.13 115.26 107.23 1xsc n ASN 91 Ca -0.09 -0.87 -0.05 0.00 -0.02 0.00 0.00 54.58 53.55 1xsc n ASN 91 Cb 0.45 0.13 -0.07 0.00 -2.36 0.00 0.00 39.78 37.93 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xsc s LYS 92 N 0.00 0.59 -0.13 -3.83 2.47 -1.26 -5.09 119.74 112.50 1xsc s LYS 92 Ca 0.00 1.25 -0.29 0.00 -1.56 0.00 0.00 55.97 55.36 1xsc s LYS 92 Cb 0.00 0.40 -0.04 0.00 -1.46 0.00 0.00 37.83 36.73 1xsc s LYS 92 CO -0.00 -0.18 1.64 -1.25 0.16 0.00 0.00 175.35 175.72 1xsc s PRO 93 N 2.14 4.00 -0.24 4.03 0.04 -1.26 -2.57 135.00 141.15 1xsc s PRO 93 Ca -0.08 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 1xsc s PRO 93 Cb -0.08 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 1xsc s PRO 93 CO -0.18 -1.05 0.14 0.15 0.04 0.00 0.00 177.00 176.09 1xsc s LYS 94 N 4.33 3.98 -0.40 4.56 -0.14 0.35 0.89 119.74 133.30 1xsc s LYS 94 Ca 0.73 -0.32 -0.21 0.00 -1.36 0.00 0.00 55.97 54.81 1xsc s LYS 94 Cb -0.30 -3.47 0.02 0.00 -1.68 0.00 0.00 37.83 32.40 1xsc s LYS 94 CO 0.29 0.02 0.68 0.99 -0.76 0.00 0.00 175.35 176.57 1xsc s THR 95 N 1.13 4.81 -0.35 2.17 2.01 0.11 -3.19 115.64 122.34 1xsc s THR 95 Ca 0.06 0.40 -0.07 0.00 0.31 0.00 0.00 61.69 62.39 1xsc s THR 95 Cb -0.14 -4.18 0.05 0.00 0.01 0.00 0.00 72.50 68.24 1xsc s THR 95 CO 0.05 -0.50 0.13 -0.69 -0.69 0.00 0.00 174.62 172.92 1xsc s VAL 96 N 2.89 3.86 0.19 3.82 1.01 0.13 0.98 120.40 133.27 1xsc s VAL 96 Ca 0.25 -1.18 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 1xsc s VAL 96 Cb -0.14 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 1xsc s VAL 96 CO 0.18 -0.24 0.72 -0.63 0.00 0.00 0.00 175.10 175.13 1xsc s ILE 97 N 1.40 4.54 -0.05 2.22 -1.09 -1.11 0.15 121.20 127.26 1xsc s ILE 97 Ca -0.01 1.38 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 1xsc s ILE 97 Cb -0.20 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1xsc s ILE 97 CO 0.03 0.33 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.59 1xsc s TYR 98 N -1.38 1.70 0.03 3.97 2.02 0.13 0.13 117.35 123.94 1xsc s TYR 98 Ca 0.40 -0.54 0.07 0.00 -0.37 0.00 0.00 57.07 56.63 1xsc s TYR 98 Cb -0.19 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 1xsc s TYR 98 CO 0.22 -0.21 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.20 1xsc s TRP 99 N 0.22 1.87 -0.04 2.71 0.51 -1.21 -3.47 118.94 119.52 1xsc s TRP 99 Ca -0.08 -0.37 -0.29 0.00 -2.12 0.00 0.00 56.10 53.24 1xsc s TRP 99 Cb -0.13 -1.14 -0.03 0.00 -0.81 0.00 0.00 33.47 31.36 1xsc s TRP 99 CO 0.03 0.06 0.95 -0.51 -0.51 0.00 0.00 176.95 176.97 1xsc s LEU 100 N -0.97 4.32 0.01 2.99 1.43 -1.26 0.23 118.68 125.43 1xsc s LEU 100 Ca 0.08 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.75 1xsc s LEU 100 Cb -0.09 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 1xsc s LEU 100 CO 0.01 -0.30 -0.08 0.00 0.23 0.00 0.00 176.35 176.21 1xsc s ALA 101 N 1.29 0.63 -0.22 4.21 0.00 0.37 0.13 121.76 128.17 1xsc s ALA 101 Ca 0.49 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1xsc s ALA 101 Cb -0.20 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.84 1xsc s ALA 101 CO 0.24 0.12 -0.15 -2.00 0.00 0.00 0.00 175.76 173.97 1xsc s GLU 102 N -0.49 2.66 0.06 0.00 2.12 -0.83 0.27 118.70 122.50 1xsc s GLU 102 Ca 0.01 -1.06 -0.31 0.00 0.36 0.00 0.00 54.97 53.96 1xsc s GLU 102 Cb -0.04 -2.75 -0.06 0.00 0.26 0.00 0.00 34.13 31.54 1xsc s GLU 102 CO -0.00 -0.38 1.28 0.14 -0.54 0.00 0.00 175.26 175.76 1xsc s VAL 103 N 1.21 3.78 0.51 3.70 -7.23 -1.24 -0.26 120.40 120.87 1xsc s VAL 103 Ca -0.01 1.26 0.23 0.00 -1.81 0.00 0.00 61.98 61.65 1xsc s VAL 103 Cb -0.16 -3.81 0.29 0.00 0.56 0.00 0.00 36.38 33.26 1xsc s VAL 103 CO -0.09 0.08 2.15 0.11 -0.31 0.00 0.00 175.10 177.04 1xsc h LYS 104 N 6.95 0.00 -5.47 4.82 1.79 -1.02 -3.42 116.57 120.21 1xsc h LYS 104 Ca -0.41 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.42 1xsc h LYS 104 Cb 1.21 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.68 1xsc h LYS 104 CO 0.84 0.06 -0.61 -0.51 -1.08 0.00 0.00 179.45 178.15 1xsc s ASP 105 N -6.52 5.25 0.10 0.86 1.11 -1.26 -5.00 116.67 111.21 1xsc s ASP 105 Ca -0.04 0.03 -0.15 0.00 0.18 0.00 0.00 52.55 52.56 1xsc s ASP 105 Cb 0.15 -1.78 -0.08 0.00 1.07 0.00 0.00 42.92 42.29 1xsc s ASP 105 CO 0.61 0.23 1.44 0.22 1.18 0.00 0.00 175.17 178.85 1xsc h TYR 106 N 6.26 0.77 -0.74 4.23 3.20 -1.99 -2.83 116.97 125.87 1xsc h TYR 106 Ca -0.39 -0.21 -0.21 0.00 3.14 0.00 0.00 58.73 61.06 1xsc h TYR 106 Cb 1.18 -0.17 -0.12 0.00 1.54 0.00 0.00 36.73 39.16 1xsc h TYR 106 CO 0.57 0.92 0.26 -3.47 -1.64 0.00 0.00 178.16 174.81 1xsc n ASP 107 N -4.34 4.94 -4.33 -2.11 4.64 -1.26 -5.01 116.55 109.07 1xsc n ASP 107 Ca -0.04 -3.21 -0.41 0.00 -1.38 0.00 0.00 54.79 49.75 1xsc n ASP 107 Cb 0.42 -0.75 0.00 0.00 -1.04 0.00 0.00 41.12 39.76 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1xsc n VAL 108 N -0.10 0.90 -1.85 5.18 3.14 -1.07 -4.84 118.33 119.70 1xsc n VAL 108 Ca 0.41 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.90 1xsc n VAL 108 Cb 1.39 -0.15 0.02 0.00 -1.06 0.00 0.00 33.84 34.04 1xsc n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsc s GLU 109 N -1.19 3.47 -0.38 1.45 1.03 -1.26 -4.99 118.70 116.83 1xsc s GLU 109 Ca 0.60 2.27 0.03 0.00 0.03 0.00 0.00 54.97 57.90 1xsc s GLU 109 Cb -0.60 -2.47 0.11 0.00 -0.80 0.00 0.00 34.13 30.37 1xsc s GLU 109 CO 0.62 -0.94 0.13 0.42 -1.33 0.00 0.00 175.26 174.15 1xsc s ILE 110 N -1.28 1.87 -0.48 1.83 -1.09 -1.25 -4.45 121.20 116.36 1xsc s ILE 110 Ca 0.66 -2.32 -0.09 0.00 -2.23 0.00 0.00 60.65 56.66 1xsc s ILE 110 Cb -0.41 -2.36 0.12 0.00 -1.58 0.00 0.00 42.46 38.23 1xsc s ILE 110 CO 0.50 -0.70 0.35 -0.13 -1.23 0.00 0.00 174.94 173.74 1xsc s ARG 111 N 0.79 2.49 0.75 2.79 0.52 0.36 -4.88 118.95 121.78 1xsc s ARG 111 Ca 0.13 -1.79 -0.07 0.00 -0.52 0.00 0.00 55.73 53.48 1xsc s ARG 111 Cb -0.21 -3.93 0.10 0.00 0.52 0.00 0.00 34.95 31.43 1xsc s ARG 111 CO -0.10 -1.20 1.06 -0.51 0.02 0.00 0.00 175.30 174.58 1xsc s LEU 112 N 1.33 2.83 0.00 2.53 1.43 -1.26 0.22 118.68 125.77 1xsc s LEU 112 Ca 0.06 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1xsc s LEU 112 Cb -0.26 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1xsc s LEU 112 CO -0.01 -1.85 0.01 -1.20 0.23 0.00 0.00 176.35 173.53 1xsc n SER 113 N -3.05 2.32 0.26 2.29 7.64 -1.24 -4.81 113.62 117.03 1xsc n SER 113 Ca 0.11 -1.62 0.09 0.00 1.01 0.00 0.00 58.87 58.45 1xsc n SER 113 Cb 0.60 0.09 0.66 0.00 -1.01 0.00 0.00 64.21 64.55 1xsc n SER 113 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1xsc h HIS 114 N 1.03 0.00 0.00 1.43 3.86 -2.00 -0.43 115.15 119.03 1xsc h HIS 114 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1xsc h HIS 114 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1xsc h HIS 114 CO 0.00 0.01 0.00 0.39 0.86 0.00 0.00 177.93 179.19 1xsc n GLU 115 N -4.47 0.23 -3.74 2.45 1.02 -1.26 -4.66 120.64 110.21 1xsc n GLU 115 Ca -0.03 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 1xsc n GLU 115 Cb 0.09 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.86 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1xsc s HIS 116 N -2.70 -0.08 -0.12 -0.32 3.76 -0.17 -2.97 115.29 112.68 1xsc s HIS 116 Ca 0.18 0.37 0.21 0.00 -0.15 0.00 0.00 55.06 55.66 1xsc s HIS 116 Cb 0.15 -0.19 -0.31 0.00 1.11 0.00 0.00 32.58 33.34 1xsc s HIS 116 CO 0.36 -0.16 0.49 0.00 -0.85 0.00 0.00 174.74 174.59 1xsc n GLN 117 N 4.44 0.60 -3.72 1.40 -0.00 -1.14 -3.90 117.38 115.07 1xsc n GLN 117 Ca -0.22 -0.17 -0.10 0.00 -0.00 0.00 0.00 57.00 56.51 1xsc n GLN 117 Cb 0.51 -1.48 -0.04 0.00 -0.00 0.00 0.00 30.24 29.23 1xsc n GLN 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsc s ALA 118 N -3.37 -0.91 0.29 2.61 0.00 -1.25 -5.04 121.76 114.09 1xsc s ALA 118 Ca -0.06 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1xsc s ALA 118 Cb 0.13 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 1xsc s ALA 118 CO 0.85 -0.77 0.19 1.52 0.00 0.00 0.00 175.76 177.56 1xsc s TYR 119 N -3.86 1.55 0.13 0.00 1.13 -1.26 0.13 117.35 115.17 1xsc s TYR 119 Ca 0.08 -1.48 -0.23 0.00 -1.41 0.00 0.00 57.07 54.04 1xsc s TYR 119 Cb -0.00 -0.74 0.06 0.00 -1.10 0.00 0.00 41.96 40.18 1xsc s TYR 119 CO -0.05 -0.67 0.57 1.03 -2.51 0.00 0.00 175.55 173.92 1xsc s ARG 120 N -3.77 1.21 -0.26 -3.49 0.52 0.10 -4.90 118.95 108.37 1xsc s ARG 120 Ca 0.38 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1xsc s ARG 120 Cb 0.04 0.55 0.07 0.00 0.52 0.00 0.00 34.95 36.14 1xsc s ARG 120 CO 0.20 -0.50 -0.00 -1.58 0.02 0.00 0.00 175.30 173.44 1xsc s TRP 121 N -3.42 2.30 0.18 -0.53 0.52 -1.26 -0.19 118.94 116.55 1xsc s TRP 121 Ca -0.00 -1.82 -0.00 0.00 0.02 0.00 0.00 56.10 54.29 1xsc s TRP 121 Cb -0.00 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1xsc s TRP 121 CO -0.10 -0.80 0.08 -0.51 0.02 0.00 0.00 176.95 175.64 1xsc s LEU 122 N 1.42 1.59 0.00 2.99 1.02 -0.97 -4.84 118.68 119.90 1xsc s LEU 122 Ca -0.00 -1.30 0.00 0.00 0.02 0.00 0.00 54.13 52.85 1xsc s LEU 122 Cb -0.18 0.22 0.00 0.00 0.02 0.00 0.00 46.19 46.24 1xsc s LEU 122 CO -0.10 -0.74 0.00 0.61 0.02 0.00 0.00 176.35 176.14 1xsc n GLY 123 N -0.25 -0.60 0.10 -3.19 0.00 -1.26 0.16 105.19 100.15 1xsc n GLY 123 Ca -0.02 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 1xsc n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsc h LEU 124 N 0.00 0.30 -0.25 0.99 5.85 -1.92 -1.34 115.31 118.94 1xsc h LEU 124 Ca 0.00 -0.83 0.04 0.00 0.84 0.00 0.00 57.88 57.93 1xsc h LEU 124 Cb 0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1xsc h LEU 124 CO 0.00 1.10 -0.00 1.05 -0.34 0.00 0.00 178.44 180.24 1xsc h GLU 125 N -0.46 0.07 0.02 1.25 4.11 -1.98 0.19 114.58 117.79 1xsc h GLU 125 Ca -0.06 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 1xsc h GLU 125 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1xsc h GLU 125 CO 0.07 0.05 -0.01 0.93 0.07 0.00 0.00 179.01 180.12 1xsc h GLU 126 N 0.07 -0.03 -0.93 1.06 3.07 -1.92 0.19 114.58 116.10 1xsc h GLU 126 Ca 0.12 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 59.25 1xsc h GLU 126 Cb 0.15 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 1xsc h GLU 126 CO -0.20 0.58 0.68 0.00 -1.40 0.00 0.00 179.01 178.68 1xsc h ALA 127 N 0.25 2.86 0.08 3.43 0.00 -1.15 0.86 119.26 125.60 1xsc h ALA 127 Ca -0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 1xsc h ALA 127 Cb 0.63 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1xsc h ALA 127 CO 0.01 -1.16 -1.44 0.00 0.00 0.00 0.00 179.25 176.66 1xsc h GLN 129 N 0.05 0.96 0.06 0.00 -0.00 0.38 -3.13 115.11 113.43 1xsc h GLN 129 Ca -0.20 -0.26 -0.17 0.00 -0.00 0.00 0.00 58.65 58.02 1xsc h GLN 129 Cb 1.97 -0.11 0.02 0.00 -0.00 0.00 0.00 27.48 29.35 1xsc h GLN 129 CO 0.15 0.92 -0.70 -0.07 -0.00 0.00 0.00 178.83 179.13 1xsc h LEU 130 N 0.86 0.51 -4.30 0.06 3.38 -0.84 -3.30 115.31 111.67 1xsc h LEU 130 Ca 0.17 -0.84 -0.33 0.00 0.09 0.00 0.00 57.88 56.97 1xsc h LEU 130 Cb 0.43 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1xsc h LEU 130 CO 0.01 1.30 0.87 0.00 0.09 0.00 0.00 178.44 180.71 1xsc n ALA 131 N -2.62 6.70 -0.49 1.53 0.00 -0.71 -3.96 120.51 120.96 1xsc n ALA 131 Ca -0.12 -2.32 0.40 0.00 0.00 0.00 0.00 53.44 51.40 1xsc n ALA 131 Cb 0.74 -2.63 0.65 0.00 0.00 0.00 0.00 19.45 18.21 1xsc n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsc n GLN 132 N 2.82 -0.02 -1.59 0.00 0.00 -1.19 -3.79 117.38 113.61 1xsc n GLN 132 Ca 0.53 1.08 -0.48 0.00 0.00 0.00 0.00 57.00 58.13 1xsc n GLN 132 Cb 0.71 -2.23 -0.05 0.00 0.00 0.00 0.00 30.24 28.67 1xsc n GLN 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xsc n PHE 133 N -4.25 2.02 -0.24 2.61 3.01 -1.26 -4.84 117.46 114.52 1xsc n PHE 133 Ca 0.37 0.06 -0.00 0.00 1.01 0.00 0.00 57.45 58.89 1xsc n PHE 133 Cb 1.54 -2.64 0.06 0.00 -0.01 0.00 0.00 39.48 38.44 1xsc n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xsc h LYS 134 N 11.47 -0.03 -0.79 -1.08 3.64 -1.97 0.05 116.57 127.86 1xsc h LYS 134 Ca -0.40 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.17 1xsc h LYS 134 Cb 1.28 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.97 1xsc h LYS 134 CO 0.97 -0.02 0.05 0.93 -2.27 0.00 0.00 179.45 179.12 1xsc h GLU 135 N -0.03 0.12 -0.14 1.90 3.07 -1.90 -0.29 114.58 117.32 1xsc h GLU 135 Ca 0.32 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.08 1xsc h GLU 135 Cb 0.52 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1xsc h GLU 135 CO -0.72 0.08 -0.27 0.52 -1.40 0.00 0.00 179.01 177.22 1xsc h MET 136 N 0.13 0.42 -0.94 2.33 2.86 -1.30 -2.14 114.93 116.28 1xsc h MET 136 Ca 0.45 -0.27 0.27 0.00 -2.06 0.00 0.00 59.70 58.09 1xsc h MET 136 Cb 0.82 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 1xsc h MET 136 CO -0.67 0.87 0.67 0.87 1.06 0.00 0.00 176.91 179.71 1xsc h LYS 137 N 0.02 0.02 0.07 1.72 1.57 0.15 0.69 116.57 120.81 1xsc h LYS 137 Ca 0.01 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1xsc h LYS 137 Cb 0.85 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.17 1xsc h LYS 137 CO 0.06 0.01 -0.44 0.00 -0.57 0.00 0.00 179.45 178.51 1xsc h ALA 138 N 1.53 -0.05 -0.57 3.86 0.00 -0.94 -1.78 119.26 121.32 1xsc h ALA 138 Ca 0.45 -0.60 0.11 0.00 0.00 0.00 0.00 54.91 54.87 1xsc h ALA 138 Cb 1.77 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.53 1xsc h ALA 138 CO -0.01 0.20 0.08 0.00 0.00 0.00 0.00 179.25 179.51 1xsc h ALA 139 N 0.06 0.63 0.00 0.00 0.00 -0.25 0.66 119.26 120.35 1xsc h ALA 139 Ca -0.08 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1xsc h ALA 139 Cb 1.34 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1xsc h ALA 139 CO 0.08 -0.34 -0.53 -0.07 0.00 0.00 0.00 179.25 178.39 1xsc h LEU 140 N 0.20 0.00 0.09 0.00 3.38 -1.26 -2.18 115.31 115.54 1xsc h LEU 140 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1xsc h LEU 140 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xsc h LEU 140 CO -0.42 0.53 -0.05 1.56 0.09 0.00 0.00 178.44 180.16 1xsc h GLN 141 N 0.00 -0.12 -0.04 1.13 1.08 0.33 -2.98 115.11 114.51 1xsc h GLN 141 Ca -0.01 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1xsc h GLN 141 Cb 1.10 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 1xsc h GLN 141 CO 0.07 0.23 -0.33 0.93 -0.95 0.00 0.00 178.83 178.77 1xsc h GLU 142 N -0.49 0.08 0.30 1.46 5.08 0.12 -2.22 114.58 118.91 1xsc h GLU 142 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xsc h GLU 142 Cb 0.40 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1xsc h GLU 142 CO 0.02 0.41 -0.36 0.78 -1.00 0.00 0.00 179.01 178.86 1xsc h GLY 143 N 1.05 -0.80 2.00 -3.84 0.00 -1.30 0.53 103.07 100.71 1xsc h GLY 143 Ca 0.01 0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.69 1xsc h GLY 143 CO 0.05 -0.29 -0.32 0.84 0.00 0.00 0.00 176.54 176.82 1xsc h HIS 144 N -0.70 0.00 -0.29 5.60 -0.00 -1.49 -1.26 115.15 117.01 1xsc h HIS 144 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.27 1xsc h HIS 144 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 1xsc h HIS 144 CO -0.23 0.32 -0.16 0.37 -0.00 0.00 0.00 177.93 178.23 1xsc h GLN 145 N 0.00 0.63 0.10 5.26 5.75 -0.72 -2.52 115.11 123.60 1xsc h GLN 145 Ca -0.00 -0.28 -0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1xsc h GLN 145 Cb 0.64 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1xsc h GLN 145 CO 0.04 0.87 -0.05 0.35 -2.65 0.00 0.00 178.83 177.39 1xsc h PHE 146 N 0.37 -0.12 -0.89 3.99 3.57 0.23 -3.25 116.94 120.86 1xsc h PHE 146 Ca 0.06 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.76 1xsc h PHE 146 Cb 0.69 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1xsc h PHE 146 CO 0.06 0.40 0.59 -0.07 -2.23 0.00 0.00 178.31 177.06 1xsc h LEU 147 N -0.76 0.40 -1.19 0.59 3.38 -1.32 0.76 115.31 117.17 1xsc h LEU 147 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xsc h LEU 147 Cb 0.57 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1xsc h LEU 147 CO 0.02 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1xsc n SER 149 N -2.57 0.55 -0.15 0.00 2.88 0.26 -4.88 113.62 109.71 1xsc n SER 149 Ca 0.01 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1xsc n SER 149 Cb 0.22 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsc n ILE 150 N -1.59 0.00 0.02 2.46 5.41 -0.70 -5.11 119.36 119.86 1xsc n ILE 150 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1xsc n ILE 150 Cb 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 1xsc n ILE 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xsc n GLU 151 N 0.00 0.00 0.00 0.38 4.71 -1.26 -5.08 120.64 119.39 1xsc n GLU 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1xsc n GLU 151 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xsc n ALA 152 N -2.65 0.00 -0.71 0.62 0.00 -1.26 -5.09 120.51 111.42 1xsc n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsc n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xsc n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39